Ion Pairing

Marcus, Yizhak; Hefter, Glenn

doi:10.1021/cr040087x

Cited by 1,004 publications

(1,225 citation statements)

References 220 publications

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“…In the case of the alkali chlorides, the stability constants are less than 1, so the existence of the ion pairs is questionable. 101 It is not possible to clearly distinguish such ion pairing from other forms of ion interactions. Table 13 summarizes some relevant Pitzer parameters for this study.…”

Section: -21 Iupac-nist Solubility Data Series 95-1mentioning

confidence: 99%

IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

Visscher

Vanderdeelen

Königsberger

et al. 2012

Journal of Physical and Chemical Reference Data

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The alkaline earth carbonates are an important class of minerals. This volume compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1, the present paper, outlines the procedure adopted in this volume in detail, and presents the beryllium and magnesium carbonates. For the minerals magnesite (MgCO 3 ), nesquehonite (MgCO 3 Á3H 2 O), and lansfordite (MgCO 3 Á5H 2 O), a critical evaluation is presented based on curve fits to empirical and=or thermodynamic models. Useful side products of the compilation and evaluation of the data outlined in the introduction are new relationships for the Henry constant of CO 2 with Sechenov parameters, and for various equilibria in the aqueous phase including the dissociation constants of CO 2 (aq) and the stability constant of the ion pair MCO 0 3 ðaqÞ (M ¼ alkaline earth metal). Thermodynamic data of the alkaline earth carbonates consistent with two thermodynamic model variants are proposed. The model variant that describes the Mg 2þ ÀHCO À 3 ion interaction with Pitzer parameters was more consistent with the solubility data and with other thermodynamic data than the model variant that described the interaction with a stability constant.

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Section: -21 Iupac-nist Solubility Data Series 95-1mentioning

confidence: 99%

IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

Visscher

Vanderdeelen

Königsberger

et al. 2012

Journal of Physical and Chemical Reference Data

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“…1) is determined not only by their direct interaction, but also by the ability of water to hydrate the solutes. 2,3 Hydration of hydrophobic and ionic solutes is therefore an important topic in electrochemistry, geochemistry, and especially biology, [4][5][6] where it is not uncommon for protein structures to be stabilized by the charges held together by bridging water molecules. The problem is not trivial, even at infinite dilution with respect to the solute where subtle competition between solute-water and water-water interactions exists.…”

Section: Introductionmentioning

confidence: 99%

Effects of the translational and rotational degrees of freedom on the hydration of simple solutes

Mohorič

Hribar-Lee

Vlachy

2014

The Journal of Chemical Physics

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Molecular dynamics simulations with separate thermostats for rotational and translational motion were used to study the effect of these degrees of freedom on the structure of water around model solutes. To describe water molecules we used the SPC/E model. The simplest solute studied here, the hydrophobe, was represented as a Lennard-Jones particle. Since direct interaction between the hydrophobe and water molecules has no angular dependence the influence of the increase of the rotational temperature on the solvation of a hydrophobe is only indirect. In the next step the central solute was assumed to be charged with either a positive or a negative charge to mimic an ion in water. Hence, depending on the charge of the ion, the neighboring water molecules assumed different angular distributions. The principal conclusions of this work are: (i) an increase of the translational temperature always decreases the height of the first peak in the solute-water radial distribution function; (ii) an increase of the rotational temperature yields an increase in the first peak in the solute-water radial distribution function for hydrophobes and cations; (iii) in contrast to this, the solvation peak decreases around ions with sufficiently large negative charge; and (iv) an increase of the rotational temperature affects cations in an opposite way to anions. For this reason complex molecules with a small net charge may not be very sensitive to variation of the rotational temperature. © 2014 AIP Publishing LLC. [http://dx

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“…Ion pairs are commonly classified as contact ion pairs (CIP), solvent-shared ions pairs (SIP) or solvent separated ion pairs (2SIP or SSIP). For the first two cases, either no solvent layer or one solvent layer exists between the ions, respectively, whereas in the last case both ions have separate primary hydration shells 5 . The concept of ion pairing has been invoked when deviations of solution properties in moderate concentrations cannot be explained using theories developed for very dilute solutions as discussed in detail by Marcus and Hefter 5 .…”

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confidence: 99%

Probing RbBr solvation in freestanding sub-2 nm water clusters

Hautala

Jänkälä

Mikkelä

et al. 2017

Phys. Chem. Chem. Phys.

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Concentration dependent solvation of RbBr in freestanding sub-2 nm water clusters was studied using core level photoelectron spectroscopy with synchrotron radiation. Spectral features recorded from dilute to saturated clusters indicate that either solvent shared or contact ion pairs are present in increasing amount when the concentration exceeds 2 mol/kg. For comparison, spectra from anhydrous RbBr clusters are also presented.

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Ion Pairing

Cited by 1,004 publications

References 220 publications

IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

Effects of the translational and rotational degrees of freedom on the hydration of simple solutes

Probing RbBr solvation in freestanding sub-2 nm water clusters

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